1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane

C19H29F3O — CID 54338119

IUPAC1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
SMILESC=CC=CCCC1CCC(C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H29F3O/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)23-19(20,21)22/h2-4,15-18H,1,5-14H2
InChIKeyTWZFLMVXFBJCSZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP6.41
Rot. Bonds6

About 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane

1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane (PubChem CID 54338119) has the molecular formula C19H29F3O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
PubChem CID54338119
Molecular FormulaC19H29F3O
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Name1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
SMILESC=CC=CCCC1CCC(C2CCC(OC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H29F3O/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)23-19(20,21)22/h2-4,15-18H,1,5-14H2
InChIKeyTWZFLMVXFBJCSZ-UHFFFAOYSA-N
XLogP6.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(difluoromethoxy)-4-[(E)-4-(4-ethylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657537
1-(difluoromethoxy)-4-[(E)-4-(4-propylcyclohexyl)but-3-en-1-ynyl]cyclohexane
CID 18657539
1-ethyl-4-[(E)-4-[4-(trifluoromethoxy)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657552
1-propyl-4-[(E)-4-[4-(trifluoromethoxy)cyclohexyl]but-1-en-3-ynyl]cyclohexane
CID 18657554
1-ethoxy-4-[2-[4-[(E)-5-fluoropent-1-enyl]cyclohexyl]ethyl]cyclohexane
CID 19695215
1-[(E)-7-fluorohept-1-enyl]-4-[4-(4-methoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695231
1-butoxy-4-[4-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexyl]cyclohexane
CID 19695245
1-[(E)-6-fluorohex-2-enyl]-4-[4-[4-(1-methoxyethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 19695252
1-(1-ethoxyethyl)-4-[4-[(E)-5-fluoropent-3-enyl]cyclohexyl]cyclohexane
CID 19695327
1-[(E)-6-fluorohex-3-enyl]-4-[2-[4-(1-methoxyethyl)cyclohexyl]ethyl]cyclohexane
CID 19695360
1-[(E)-4-fluorobut-1-enyl]-4-(4-propoxycyclohexyl)cyclohexane
CID 19695441
1-[(E)-5-fluorohept-3-enyl]-4-[4-(4-propoxycyclohexyl)cyclohexyl]cyclohexane
CID 19695469

Frequently Asked Questions

What is the IUPAC name of 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
The IUPAC name of 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane (CID 54338119) is 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
The canonical SMILES for 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane is C=CC=CCCC1CCC(C2CCC(OC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
The InChIKey is TWZFLMVXFBJCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3O/c1-2-3-4-5-6-15-7-9-16(10-8-15)17-11-13-18(14-12-17)23-19(20,21)22/h2-4,15-18H,1,5-14H2.
What are the key properties of 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane?
1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane has a molecular weight of 330.43 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-3,5-dienyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane is sourced from PubChem (CID 54338119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).